SCHEMBL20644439

SCHEMBL20644439

CC[C@@H]([C@@H](C)O)n1ncn(Cc2ccc(C(C)C)cn2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ DGAT1 O75907 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25160115 0.87 TDP1 (0.31) —
SCHEMBL20644460 0.84 CNR1 (0.32) PRMT5WDR77CNR1CNR2
SCHEMBL20644372 0.83 NPBWR1 (0.35) DGAT1
SCHEMBL20644380 0.82 PRMT5 (0.30) PRMT5WDR77
SCHEMBL20644385 0.81 PRMT5 (0.38) PRMT5WDR77CNR1CNR2
SCHEMBL25160279 0.79 MAPT (0.37) DGAT1
SCHEMBL20644563 0.79 MAPT (0.37) DGAT1
SCHEMBL20644374 0.77 — —
SCHEMBL20644496 0.73 MAPT (0.50) DGAT1
SCHEMBL20652848 0.73 MAPT (0.50) DGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 — — US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PRMT5 1075/4885WDR77 4621/4885CNR1 4685/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO PRMT5 1075/4885WDR77 4621/4885CNR1 4685/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback